Detailed information for compound 1307604

Basic information

Technical information
  • TDR Targets ID: 1307604
  • Name: ZINC01027023
  • MW: 428.361 | Formula: C17H12F4N4O3S
  • H donors: 2 H acceptors: 4 LogP: 3.04 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)S(=O)(=O)NNC(=O)c1cnn(c1C(F)(F)F)c1ccccc1
  • InChi: 1S/C17H12F4N4O3S/c18-11-6-8-13(9-7-11)29(27,28)24-23-16(26)14-10-22-25(15(14)17(19,20)21)12-4-2-1-3-5-12/h1-10,24H,(H,23,26)
  • InChiKey: WFYRERTYHADIFT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • MLS000849951
  • N'1-{[1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]carbonyl}-4-fluorobenzene-1-sulfonohydrazide
  • SMR000455969

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium leprae Conserved hypothetical protein 0.0365 0.3651 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0 0.5
Giardia lamblia Transglutaminase/protease, putative 0.0365 0.3651 0.5
Mycobacterium leprae Conserved hypothetical protein 0.0365 0.3651 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0365 0.3651 0.5
Mycobacterium tuberculosis Long conserved protein 0.0365 0.3651 0.5
Onchocerca volvulus 0.0365 0.3651 1
Mycobacterium ulcerans hypothetical protein 0.0365 0.3651 0.5
Mycobacterium ulcerans hypothetical protein 0.0365 0.3651 0.5
Mycobacterium ulcerans transglutaminase family protein 0.0365 0.3651 0.5
Loa Loa (eye worm) steroid hormone receptor 0.0012 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0 0.5
Mycobacterium tuberculosis Hypothetical protein 0.0365 0.3651 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0 0.5
Giardia lamblia Hypothetical protein 0.0365 0.3651 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0365 0.3651 0.5
Mycobacterium ulcerans putative transglutaminase-like protein 0.0365 0.3651 0.5
Mycobacterium tuberculosis Conserved protein 0.0365 0.3651 0.5
Trichomonas vaginalis peptide N-glycanase, putative 0.0365 0.3651 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0 0.5
Echinococcus granulosus Transglutaminase 0.0365 0.3651 1
Schistosoma mansoni hypothetical protein 0.0365 0.3651 1
Loa Loa (eye worm) hypothetical protein 0.0012 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0 0.5
Brugia malayi Thioredoxin family protein 0.0365 0.3651 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0 0.5
Echinococcus multilocularis Transglutaminase 0.0365 0.3651 0.3651

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3489 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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